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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Butylbenzo[d]isothiazol-3(2H)-one - ≥98% , CAS No.4299-07-4
Synonyms
2-BUTYL-1,2-BENZOTHIAZOL-3-ONE | 2-n-butyl-1,2-benzisothiazolin-3-one | AKOS027379784 | 7PK26VAT4Q | 2-Butyl-1,2-benzisothiazolin-3-one | 2-butylbenzo[d]isothiazol-3(2H)-one | 2-Butyl-1,2-benzisothiazolin-3(2H)-one | UNII-7PK26VAT4Q | 2-butyl-2,3-dihydro-
Storage
Room temperature,Desiccated
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-BUTYL-1, 2-BENZOTHIAZOL-3-ONE | 2-n-butyl-1, 2-benzisothiazolin-3-one | AKOS027379784 | 7PK26VAT4Q | 2-Butyl-1, 2-benzisothiazolin-3-one | 2-butylbenzo[d]isothiazol-3(2H)-one | 2-Butyl-1, 2-benzisothiazolin-3(2H)-one | UNII-7PK26VAT4Q | 2-butyl-2, 3-dihydro-
Specifications & Purity
≥98%
Storage
Room temperature, Desiccated
Names and Identifiers Pubchem Sid 504764943 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504764943 Canonical Smiles CCCCN1C(=O)C2=CC=CC=C2S1 IUPAC Name 2-butyl-1,2-benzothiazol-3-one InChIKey LUYIHWDYPAZCNN-UHFFFAOYSA-N INCHI 1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3 Isomeric SMILES CCCCN1C(=O)C2=CC=CC=C2S1 Molecular Weight 207.29 Reaxy-Rn 1212062 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1212062&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Benzenoids Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,2-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Flash Point(°C) 155 °C Boil Point(°C) 180°C/0.8mmHg(lit.) Molecular Weight 207.290 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 207.072 Da Monoisotopic Mass 207.072 Da Topological Polar Surface Area 45.600 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 219.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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